Chemical ID: 7015719

CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)O)CCN4CCOCC4)O
Chemical ID:
7015719
Name [?]:
4-(3-ethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)O)CCN4CCOCC4)O
InChi [?]:
InChI=1/C25H28N2O6/c1-2-33-20-5-3-4-18(16-20)23(29)21-22(17-6-8-19(28)9-7-17)27(25(31)24(21)30)11-10-26-12-14-32-15-13-26/h3-9,16,22,28,30H,2,10-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,5,19,23,20,22,26,25,28,32,29,31,9,18,8,21,4,12,17,10,13,14,27,16,24,11,33,15,30,3/E:(6,7)(8,9)(12,13)(14,15)/rA:33cCCOCCCCCCCOCCCONCCCCCCCOCCNCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s21;s16;s25;s26;s27;s28;s29;s30;s27s31;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N2O6
All Atoms:61
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.5087
Area:696.367
Solvation:-7.90047
Coulombic:-78.6256
Bond Count [?]
All:36
Single:27
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:452.5
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.58
LogP (Chemaxon):0.3

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Descriptor Annotations

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